Molecular docking and molecular dynamics simulation were applied to study the binding mode of 3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs anti-HIV inhibitors with HIV-1 RT. The results suggest that there is a strong hydrogen bond between DCK O16 and NH of Lys101, and that DCK analogues might act similarly as other types of HIV-1 RT… (More)

Bevirimat is the first in a new class of HIV drugs called maturation inhibitors that specifically inhibit the last step in processing of Gag, the conversion of capsid-SP1 (p25) to capsid (p24). Following bevirimat treatment, viral particles released from infected cells have abnormal core structures and are non-infectious. The compound is a potent inhibitor… (More)